CID 3339959

6-(3,4-dichlorophenyl)-4,5-dihydro-2-(3-hydroxypropyl)-3(2h)-pyridazinone

Structural Information

Molecular Formula
C13H14Cl2N2O2
SMILES
C1CC(=O)N(N=C1C2=CC(=C(C=C2)Cl)Cl)CCCO
InChI
InChI=1S/C13H14Cl2N2O2/c14-10-3-2-9(8-11(10)15)12-4-5-13(19)17(16-12)6-1-7-18/h2-3,8,18H,1,4-7H2
InChIKey
QKXRDCSATQJSDU-UHFFFAOYSA-N
Compound name
6-(3,4-dichlorophenyl)-2-(3-hydroxypropyl)-4,5-dihydropyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.04324 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.05052 163.6
[M+Na]+ 323.03246 172.9
[M-H]- 299.03596 165.4
[M+NH4]+ 318.07706 177.0
[M+K]+ 339.00640 166.2
[M+H-H2O]+ 283.04050 156.2
[M+HCOO]- 345.04144 172.0
[M+CH3COO]- 359.05709 198.6
[M+Na-2H]- 321.01791 165.6
[M]+ 300.04269 165.3
[M]- 300.04379 165.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.